2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

C17H17Cl2NOS — CID 7870470

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NOS/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-16-9-14(18)7-8-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyZRLKBRFINKICQA-GFCCVEGCSA-N
MW354.30 g/mol
LogP5.01
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7870470) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7870470
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NOS/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-16-9-14(18)7-8-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyZRLKBRFINKICQA-GFCCVEGCSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
2-(2,5-dichlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771516
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-2-methoxypropanoic acid
CID 106107365
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 8859867
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (CID 7870470) is 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is ZRLKBRFINKICQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-16-9-14(18)7-8-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 354.30 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7870470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).